2-(5-bromo-2-fluorophenyl)-1,3-dioxolane

• ChemBase ID: 287703
• Molecular Formular: C9H8BrFO2
• Molecular Mass: 247.0610232
• Monoisotopic Mass: 245.96916972
• SMILES: Fc1ccc(Br)cc1C1OCCO1
• Canonical SMILES: Fc1ccc(cc1C1OCCO1)Br
• InChI: InChI=1S/C9H8BrFO2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
• InChIKey: WWJNPWYIXIIEJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane
• IUPAC Traditional name: 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane
• Synonyms: 2-(5-Bromo-2-fluorophenyl)-1,3-dioxolane

Database IDs

• CAS Number: 679840-30-3
• PubChem SID: 180673234
• PubChem CID: 18455585

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8678548
• LogD (pH = 7.4): 2.8678548
• Log P: 2.8678548
• Molar Refractivity: 49.2764 cm^3
• Polarizability: 19.198948 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%